(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone

C19H19ClN4O — CID 164636885

IUPAC(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone
SMILESO=C([C@H]1CCc2cn[nH]c2C1)N1CCn2c(cc3ccc(Cl)cc32)C1
InChIInChI=1S/C19H19ClN4O/c20-15-4-3-12-7-16-11-23(5-6-24(16)18(12)9-15)19(25)13-1-2-14-10-21-22-17(14)8-13/h3-4,7,9-10,13H,1-2,5-6,8,11H2,(H,21,22)/t13-/m0/s1
InChIKeyLGPJMXONDJOYAD-ZDUSSCGKSA-N
MW354.84 g/mol
LogP3.17
Rot. Bonds1

About (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone

(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone (PubChem CID 164636885) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone.

Molecular Properties

Compound Name(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone
PubChem CID164636885
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone
SMILESO=C([C@H]1CCc2cn[nH]c2C1)N1CCn2c(cc3ccc(Cl)cc32)C1
InChIInChI=1S/C19H19ClN4O/c20-15-4-3-12-7-16-11-23(5-6-24(16)18(12)9-15)19(25)13-1-2-14-10-21-22-17(14)8-13/h3-4,7,9-10,13H,1-2,5-6,8,11H2,(H,21,22)/t13-/m0/s1
InChIKeyLGPJMXONDJOYAD-ZDUSSCGKSA-N
XLogP3.17
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone?
The IUPAC name of (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone (CID 164636885) is (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone.
What is the SMILES notation for (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone?
The canonical SMILES for (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone is O=C([C@H]1CCc2cn[nH]c2C1)N1CCn2c(cc3ccc(Cl)cc32)C1.
What is the InChIKey of (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone?
The InChIKey is LGPJMXONDJOYAD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-15-4-3-12-7-16-11-23(5-6-24(16)18(12)9-15)19(25)13-1-2-14-10-21-22-17(14)8-13/h3-4,7,9-10,13H,1-2,5-6,8,11H2,(H,21,22)/t13-/m0/s1.
What are the key properties of (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone?
(7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone has a molecular weight of 354.84 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl)-[(6S)-4,5,6,7-tetrahydro-1H-indazol-6-yl]methanone is sourced from PubChem (CID 164636885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).